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P-3246973

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Name File
SDF P-3246973.sdf
SMILES P-3246973.smiles
Standard InChI P-3246973.inchi
InChIKey P-3246973.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-3246973 VITAS M CHEMICAL LIMITED Collections of Fragments for Fragment-based Drug Discovery 90 103 mg
Property Value
Components 1
Mass 171.248
logP 1.46218
H-bond acceptors 3
H-bond donors 0
Rotatable bonds 2
PSA 103.11
RO5 violations 0
RO3 violations 1
Refractivity 41.152
Atoms 15
Rings 1
Heavy atoms 10
Hydrogen atoms 5
Heteroatoms 5
N/O atoms 3
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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